Spektraris NMR
12-epi-Teucjaponin A
Common Name: 12-epi-Teucjaponin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,24H,3-4,6,8-9,11-12H2,1-2H3/t13-,16-,17-,18-,20+,21-,22+/m1/s1
InChIKey: InChIKey=LOZYVHYKXUKJDA-ISHORCFRSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Piozzi, F., Al-Hillo, M.R., Lamara, K., Ladjel, S. J Nat Prod (2000) 63, 1029-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 22.2 |
| 2 (CH2) | 24.6 |
| 3 (CH2) | 33.2 |
| 4 (C) | 62.9 |
| 5 (C) | 45.7 |
| 6 (CH) | 65.9 |
| 7 (CH2) | 35.6 |
| 8 (CH) | 34.4 |
| 9 (C) | 52 |
| 10 (CH) | 44.4 |
| 11 (CH2) | 45.3 |
| 12 (CH) | 71.7 |
| 13 (C) | 125.4 |
| 14 (CH) | 108.1 |
| 15 (CH) | 144.1 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 17.1 |
| 18 (CH2) | 52.4 |
| 19 (CH2) | 64.1 |
| 20 (C) | 177.1 |
| 19a (C) | 171 |
| 19b (CH3) | 21.1 |
